5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione

C17H14Cl2N2O3S — CID 143665406

IUPAC5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1cc(Oc2c(Cl)cncc2Cl)ccc1CC1SC(=O)NC1=O
InChIInChI=1S/C17H14Cl2N2O3S/c1-2-9-5-11(24-15-12(18)7-20-8-13(15)19)4-3-10(9)6-14-16(22)21-17(23)25-14/h3-5,7-8,14H,2,6H2,1H3,(H,21,22,23)
InChIKeyPFVNFFFNZVYRBV-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.64
Rot. Bonds5

About 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 143665406) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID143665406
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1cc(Oc2c(Cl)cncc2Cl)ccc1CC1SC(=O)NC1=O
InChIInChI=1S/C17H14Cl2N2O3S/c1-2-9-5-11(24-15-12(18)7-20-8-13(15)19)4-3-10(9)6-14-16(22)21-17(23)25-14/h3-5,7-8,14H,2,6H2,1H3,(H,21,22,23)
InChIKeyPFVNFFFNZVYRBV-UHFFFAOYSA-N
XLogP4.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 143665406) is 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione is CCc1cc(Oc2c(Cl)cncc2Cl)ccc1CC1SC(=O)NC1=O.
What is the InChIKey of 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PFVNFFFNZVYRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-2-9-5-11(24-15-12(18)7-20-8-13(15)19)4-3-10(9)6-14-16(22)21-17(23)25-14/h3-5,7-8,14H,2,6H2,1H3,(H,21,22,23).
What are the key properties of 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 397.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,5-dichloro-4-pyridinyl)oxy]-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 143665406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).